0 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.10 COC(=O)C(N)CO HY-W013622 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.10 COC(=O)[C@@H](N)CO HY-32687A [0,0,0,0,0,0|3,0,1]=4 5 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.10 COC(=O)[C@H](N)CS HY-W018865 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.10 NNC(=O)C(=O)NN HY-W012887 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [0,0,0,0,0,0|4,0,0]=4 11 B7R0.10 [C@@H](N)(CO)C(=O)OC HY-W015533 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 CON(C)C(C)=O HY-W001095 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [1,0,0,0,0,0|3,0,0]=4 32 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,1,0,0,0,0|2,0,0]=3 37 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,1,0,0,0,0|2,0,1]=4 39 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,1,0,0,0,0|2,0,1]=4 40 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,1,0,0|2,0,1]=4 48 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,1,0,0|0,0,0]=1 49 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|2,0,0]=3 51 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|2,0,0]=3 52 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|2,0,0]=3 53 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|2,0,0]=3 54 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|2,0,0]=3 55 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|2,0,0]=3 56 B8R1.39 COC(=O)C1(N)CC1 HY-W008219 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,0,0,1,0,0|2,0,1]=4 59 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [0,0,0,0,0,1|1,0,0]=2 60 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [0,0,0,0,0,1|2,0,0]=3 61 B8R0.19 O=C(CI)OC(=O)CI HY-W686605 [0,0,0,0,0,1|2,0,0]=3 62 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 OC\C=C/CO HY-W027631 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 CCC(C)C=O HY-W020678 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.5 C=C(C)C(N)=O HY-W020027 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(=O)C(=O)O HY-Y0781 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(=O)C(=O)O HY-Y0781R [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(=O)N(C)C HY-W042416 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.5 NC(=O)C(=O)O HY-W013032 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.5 O=C(O)C(=O)O HY-W041831 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.5 O=C(O)C(=O)O HY-Y0262 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.5 O=C(O)C(=O)O HY-Y0262A [2,0,0,0,0,0|2,0,0]=4 87 B5R0.5 O=C(O)C(=O)O HY-Y1297 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,1|0,0,0]=2 101 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,1|2,0,0]=4 102 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|1,0,1]=4 107 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|0,0,1]=3 108 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|2,0,0]=4 119 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.37 CN1C(=O)NC(=O)C1O HY-111314 [0,0,0,1,0,1|2,0,0]=4 121 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,1|0,0,0]=2 122 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,0,0,1,0,1|1,0,0]=3 123 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|1,0,1]=4 124 B9R0.24 COC(=O)CCC(=O)CN HY-A0169A [0,0,0,0,0,2|2,0,0]=4 125 B9R0.24 COC(=O)CCC(=O)OC HY-Y0808 [0,0,0,0,0,2|2,0,0]=4 126 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [0,0,0,0,0,2|2,0,0]=4 127 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [0,0,0,0,0,2|2,0,0]=4